COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.664  -1.137   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.019  -0.531   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.510  -0.246   0.000  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.803  -1.582   0.001  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.725   1.103   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.014   1.641   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.068   0.151   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.773  -0.663   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       0.427   0.287   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       4.217  -0.392   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1       5.416   0.558   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       6.712  -0.256   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       7.911   0.694   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      10.406   0.830   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.917  -2.419  -0.004  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.130   0.871   0.000  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.217  -0.758   0.001  1.00  0.00           N  
HETATM   18  O   UNL     1      -7.120  -2.586   0.001  1.00  0.00           O  
HETATM   19  N   UNL     1      -8.467   1.507   0.000  1.00  0.00           N1+
HETATM   20  O   UNL     1      -8.564   2.721  -0.001  1.00  0.00           O1-
HETATM   21  O   UNL     1      -9.470   0.817   0.000  1.00  0.00           O  
HETATM   22  C   UNL     1       1.722  -0.527   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       2.921   0.423   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       9.206  -0.120   0.000  1.00  0.00           C  
HETATM   25  C   UNL     1      11.682   0.028   0.000  1.00  0.00           C  
HETATM   26  O   UNL     1      11.636  -1.180   0.001  1.00  0.00           O  
HETATM   27  O   UNL     1      12.868   0.655   0.000  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.876   1.771  -0.001  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.126   2.715   0.001  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.102   0.780   0.890  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.102   0.779  -0.890  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.739  -1.291   0.891  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.739  -1.292  -0.889  1.00  0.00           H  
HETATM   34  H   UNL     1       0.393   0.915  -0.891  1.00  0.00           H  
HETATM   35  H   UNL     1       0.393   0.916   0.890  1.00  0.00           H  
HETATM   36  H   UNL     1       4.251  -1.020  -0.889  1.00  0.00           H  
HETATM   37  H   UNL     1       4.251  -1.020   0.891  1.00  0.00           H  
HETATM   38  H   UNL     1       5.382   1.186  -0.891  1.00  0.00           H  
HETATM   39  H   UNL     1       6.746  -0.884   0.891  1.00  0.00           H  
HETATM   40  H   UNL     1       7.877   1.322  -0.891  1.00  0.00           H  
HETATM   41  H   UNL     1       7.877   1.323   0.889  1.00  0.00           H  
HETATM   42  H   UNL     1      10.372   1.457  -0.891  1.00  0.00           H  
HETATM   43  H   UNL     1      10.372   1.459   0.889  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.075  -1.718   0.001  1.00  0.00           H  
HETATM   45  H   UNL     1       1.756  -1.155   0.891  1.00  0.00           H  
HETATM   46  H   UNL     1       1.756  -1.156  -0.889  1.00  0.00           H  
HETATM   47  H   UNL     1       2.887   1.051   0.889  1.00  0.00           H  
HETATM   48  H   UNL     1       2.887   1.050  -0.891  1.00  0.00           H  
HETATM   49  H   UNL     1       9.241  -0.748   0.891  1.00  0.00           H  
HETATM   50  H   UNL     1       9.241  -0.749  -0.890  1.00  0.00           H  
HETATM   51  H   UNL     1      13.659   0.098   0.000  1.00  0.00           H  
HETATM   52  H   UNL     1       5.382   1.187   0.889  1.00  0.00           H  
HETATM   53  H   UNL     1       6.746  -0.885  -0.889  1.00  0.00           H  
CONECT    1    3   15   15    2                                       
CONECT    2    1    4    4   16                                       
CONECT    3   17    1    5    5                                       
CONECT    4   18    2    2                                            
CONECT    5    3    3    6   28                                       
CONECT    6    5   16   16   29                                       
CONECT    7    8   17   30   31                                       
CONECT    8    9    7   32   33                                       
CONECT    9   22    8   34   35                                       
CONECT   10   11   23   36   37                                       
CONECT   11   12   10   38   52                                       
CONECT   12   13   11   39   53                                       
CONECT   13   12   24   40   41                                       
CONECT   14   24   25   42   43                                       
CONECT   15    1    1   18                                            
CONECT   16    2    6    6   19                                       
CONECT   17    7    3   44                                            
CONECT   18   15    4                                                 
CONECT   19   16   20   21   21                                       
CONECT   20   19                                                      
CONECT   21   19   19                                                 
CONECT   22   23    9   45   46                                       
CONECT   23   10   22   47   48                                       
CONECT   24   13   14   49   50                                       
CONECT   25   14   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   51                                                 
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
